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Diethylmalonic acid, 2,4-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,4-dichlorophenyl octyl ester
SpectraBase Compound ID FkMwNPrQBa8
InChI InChI=1S/C21H30Cl2O4/c1-4-7-8-9-10-11-14-26-19(24)21(5-2,6-3)20(25)27-18-13-12-16(22)15-17(18)23/h12-13,15H,4-11,14H2,1-3H3
InChIKey NGRBPYWZWWKLIK-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C21H30Cl2O4
Exact Mass 416.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XnOEVwWNsL
Name Diethylmalonic acid, 2,4-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.152114842 u
Formula C21H30Cl2O4
InChI InChI=1S/C21H30Cl2O4/c1-4-7-8-9-10-11-14-26-19(24)21(5-2,6-3)20(25)27-18-13-12-16(22)15-17(18)23/h12-13,15H,4-11,14H2,1-3H3
InChIKey NGRBPYWZWWKLIK-UHFFFAOYSA-N
Molecular Weight 417.373 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC